(2R)-4-[(2-iodanylphenyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: (2R)-4-[(2-iodanylphenyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: (2R)-2-benzyl-4-(2-iodoanilino)-4-oxo-butanoate CAS Name: (2R)-4-(2-iodoanilino)-4-oxo-2-(phenylmethyl)butanoate IUPAC Name: (2R)-2-benzyl-4-(2-iodoanilino)-4-oxobutanoate Traditional Name: (2R)-2-benzyl-4-(2-iodoanilino)-4-keto-butyrate Formula: C17H15INO3- MolecularWeight: 408.21037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)NC2=CC=CC=C2I)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](CC(=O)NC2=CC=CC=C2I)C(=O)[O-]

InChI

InChI=1S/C17H16INO3/c18-14-8-4-5-9-15(14)19-16(20)11-13(17(21)22)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,19,20)(H,21,22)/p-1/t13-/m1/s1